2-[2-(3-aminophenyl)-3-chloranyl-5-(cyclobutylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(3-aminophenyl)-3-chloranyl-5-(cyclobutylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-keto-pyrazin-1-yl]acetic acid Formula: C16H17ClN4O3 MolecularWeight: 348.78418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)O)C3=CC(=CC=C3)N)Cl

Isomeric SMILES

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)O)C3=CC(=CC=C3)N)Cl

InChI

InChI=1S/C16H17ClN4O3/c17-14-13(9-3-1-4-10(18)7-9)21(8-12(22)23)16(24)15(20-14)19-11-5-2-6-11/h1,3-4,7,11H,2,5-6,8,18H2,(H,19,20)(H,22,23)